Chemical Properties of Carbonic acid, (1R)-(-)-menthyl hexadecyl ester

InChI

InChI=1S/C27H52O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-27(28)30-26-22-25(23(2)3)20-19-24(26)4/h23-26H,5-22H2,1-4H3

InChI Key

HVJGRMWSLAZGAW-UHFFFAOYSA-N

Formula

C27H52O3

SMILES

CCCCCCCCCCCCCCCCOC(=O)OC1CC(C(C)C)CCC1C

Molecular Weight¹

424.70

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	61.70	kJ/mol	Joback Calculated Property
log10WS	-8.46		Relay (1.0) Calculated Property
logPoct/wat	9.082		Crippen Calculated Property
McVol	393.740	ml/mol	McGowan Calculated Property
Inp	[2924.00; 2924.00]
Inp	2924.00		NIST
Inp	2924.00		NIST
Tboil	662.34	K	Relay (1.0) Calculated Property
Tfus	272.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[576.09; 1437.83]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.61550e+01
Coefficient B			2.52588e+00
Coefficient C			-1.21280e-03
Coefficient D			1.50900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	576.09	J/mol×K	273.00	Calculated Property
Cp,gas	722.33	J/mol×K	353.78	Calculated Property
Cp,gas	854.84	J/mol×K	434.56	Calculated Property
Cp,gas	974.09	J/mol×K	515.33	Calculated Property
Cp,gas	1080.55	J/mol×K	596.11	Calculated Property
Cp,gas	1174.71	J/mol×K	676.89	Calculated Property
Cp,gas	1257.03	J/mol×K	757.67	Calculated Property
Cp,gas	1328.01	J/mol×K	838.44	Calculated Property
Cp,gas	1388.12	J/mol×K	919.22	Calculated Property
Cp,gas	1437.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009421; 0.0000491]	Pa×s	[442.51; 777.98]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.38176e+01
Coefficient B			3.03128e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			442.51
Temperature range, max.			777.98
η	0.0009421	Pa×s	442.51	Calculated Property
η	0.0005533	Pa×s	479.78	Calculated Property
η	0.0003509	Pa×s	517.06	Calculated Property
η	0.0002366	Pa×s	554.33	Calculated Property
η	0.0001676	Pa×s	591.61	Calculated Property
η	0.0001237	Pa×s	628.88	Calculated Property
η	0.0000945	Pa×s	666.16	Calculated Property
η	0.0000742	Pa×s	703.43	Calculated Property
η	0.0000598	Pa×s	740.71	Calculated Property
η	0.0000491	Pa×s	777.98	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, (1R)-(-)-menthyl hexadecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.